SCHEMBL31389287

SCHEMBL31389287

COC(=O)c1cc(OCCOc2cc(C)c(Cl)c(C)c2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MCL1 Q07820 11/20 0.45
▸ BCL2 P10415 3/20 0.45
▸ BCL2L1 Q07817 1/20 0.45
▸ BAD Q92934 1/20 0.45
▸ PIN1 Q13526 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31389274 0.90 ALOX15 (0.55) ALOX15KDM4ELMNAHPGDMCL1
SCHEMBL31389291 0.81 ALOX15 (0.51) ALOX15KDM4EHPGDP2RY12TDP1
SCHEMBL90018 0.80 ALOX15 (0.53) ALOX15KDM4EHPGDP2RY12PLA2G2A
SCHEMBL31389258 0.79 ALOX15 (0.52) ALOX15KDM4EP2RY12PLA2G2A
SCHEMBL9379922 0.79 ALOX15 (0.52) ALOX15KDM4EP2RY12PLA2G2A
SCHEMBL31389238 0.79 ALOX15 (0.57) ALOX15KDM4ELMNAP2RY12PLA2G2A
SCHEMBL9381350 0.77 ALOX15 (0.55) ALOX15KDM4EP2RY12
SCHEMBL31389266 0.77 ALOX15 (0.55) ALOX15LMNAHPGDTDP1
SCHEMBL31389236 0.76 MAPT (0.58) ALOX15KDM4ELMNATDP1L3MBTL1
SCHEMBL31389251 0.76 ALOX15 (0.77) ALOX15KDM4ELMNAHPGDP2RY12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 — — CN disclosed
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